(1S,3R,6R,7E,13R,16S,17S,21R,22R)-17-[5-[4-(3-chloro-6-methoxy-2-methylbenzoyl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-26-hydroxy-3,22-dimethyl-23,28-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25-tetraene-4-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (1S,3R,6R,7E,13R,16S,17S,21R,22R)-17-[5-[4-(3-chloro-6-methoxy-2-methylbenzoyl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-26-hydroxy-3,22-dimethyl-23,28-dioxo-24,27-dioxapentacyclo[23.2.1.01,6.013,22.016,21]octacosa-4,7,14,25-tetraene-4-carboxylic acid
• 化学式: C₅₀H₆₃ClO₁₆
• 分子量: 955.5
• InChiKey: YKURYCPWXGAEBG-QGQJXWSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  67
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  223
• 氢给体数：
  4
• 氢受体数：
  16